Unrestricted geometry optimization

ZILING LUO oliver... at gmail.com
Tue Oct 10 16:20:26 UTC 2017


Hi,

I am trying to run geometry optimization with unrestricted electrons. The 
problem is the simulation stoped after several steps due to bad condition 
number. I am wondering is there any way to slove this problem. I attached 
the test input file. Thanks a lot!

Ziling
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